1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea

C15H18F2N4O2 — CID 51085276

IUPAC1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CCCNC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2N4O2/c1-11-18-8-10-21(11)9-2-7-19-15(22)20-12-3-5-13(6-4-12)23-14(16)17/h3-6,8,10,14H,2,7,9H2,1H3,(H2,19,20,22)
InChIKeyGKQNOCKCLSLBLR-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.00
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea

1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea (PubChem CID 51085276) has the molecular formula C15H18F2N4O2 and a molecular weight of 324.33 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
PubChem CID51085276
Molecular FormulaC15H18F2N4O2
Molecular Weight324.33 g/mol
Exact Mass324.14
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
SMILESCc1nccn1CCCNC(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H18F2N4O2/c1-11-18-8-10-21(11)9-2-7-19-15(22)20-12-3-5-13(6-4-12)23-14(16)17/h3-6,8,10,14H,2,7,9H2,1H3,(H2,19,20,22)
InChIKeyGKQNOCKCLSLBLR-UHFFFAOYSA-N
XLogP3.00
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-N-[3-(2-methylimidazol-1-yl)propyl]aniline
CID 75397043
1-[4-(difluoromethoxy)phenyl]-3-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 72941301
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea
CID 60546601
(2R)-2-[3-(2-methylimidazol-1-yl)propylcarbamoylamino]-N-phenylpropanamide
CID 96524441
1-[3-(2-ethylimidazol-1-yl)propyl]-3-[4-(2-methylimidazol-1-yl)phenyl]urea
CID 118773217
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
N'-(3-chloro-4-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]oxamide
CID 5297274
1-[4-(difluoromethoxy)phenyl]-3-(2-phenylethyl)urea
CID 59649482
4-(4-tert-butylphenoxy)-N-[3-(2-methylimidazol-1-yl)propyl]butanamide
CID 55957830
1-[3-(2-methylimidazol-1-yl)propyl]-3-(5-sulfanylidene-2H-thiadiazol-4-yl)urea
CID 118398328
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[4-(2-methylimidazol-1-yl)butyl]urea
CID 111481816
1-(4-ethoxyphenyl)-3-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)urea
CID 90556407

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea (CID 51085276) is 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea is Cc1nccn1CCCNC(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea?
The InChIKey is GKQNOCKCLSLBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O2/c1-11-18-8-10-21(11)9-2-7-19-15(22)20-12-3-5-13(6-4-12)23-14(16)17/h3-6,8,10,14H,2,7,9H2,1H3,(H2,19,20,22).
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea?
1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea has a molecular weight of 324.33 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-[3-(2-methylimidazol-1-yl)propyl]urea is sourced from PubChem (CID 51085276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).